3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde

C13H9F2NO2 — CID 133093667

IUPAC3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde
SMILESCOc1ccc(-c2cccc(F)c2F)c(C=O)n1
InChIInChI=1S/C13H9F2NO2/c1-18-12-6-5-8(11(7-17)16-12)9-3-2-4-10(14)13(9)15/h2-7H,1H3
InChIKeyXXJCXHMFJCKQPS-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.85
Rot. Bonds3

About 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde

3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde (PubChem CID 133093667) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde
PubChem CID133093667
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde
SMILESCOc1ccc(-c2cccc(F)c2F)c(C=O)n1
InChIInChI=1S/C13H9F2NO2/c1-18-12-6-5-8(11(7-17)16-12)9-3-2-4-10(14)13(9)15/h2-7H,1H3
InChIKeyXXJCXHMFJCKQPS-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde?
The IUPAC name of 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde (CID 133093667) is 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde is COc1ccc(-c2cccc(F)c2F)c(C=O)n1.
What is the InChIKey of 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde?
The InChIKey is XXJCXHMFJCKQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-18-12-6-5-8(11(7-17)16-12)9-3-2-4-10(14)13(9)15/h2-7H,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde?
3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde has a molecular weight of 249.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-6-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 133093667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).